pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.99	IUPAC digitized pKa	1	0	Cc1nc2nc([NH3+])nc(C)c2nc1C,Cc1nc2c(C)nc(N)nc2[nH+]c1C,Cc1nc2nc(N)nc(C)c2[nH+]c1C,Cc1nc2nc(N)[nH+]c(C)c2nc1C,Cc1nc2[nH+]c(N)nc(C)c2nc1C	Cc1nc2nc(N)nc(C)c2nc1C	mol4742	Cc1nc2nc(N)nc(C)c2nc1C
3.03	AttenGpKa training set	1	0	Cc1nc2nc([NH3+])nc(C)c2nc1C,Cc1nc2c(C)nc(N)nc2[nH+]c1C,Cc1nc2nc(N)nc(C)c2[nH+]c1C,Cc1nc2nc(N)[nH+]c(C)c2nc1C,Cc1nc2[nH+]c(N)nc(C)c2nc1C	Cc1nc2nc(N)nc(C)c2nc1C	mol4742	Cc1nc2nc(N)nc(C)c2nc1C